1-[6-bromanyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[6-bromanyl-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-indolyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-bromo-1-(2-imidazolin-2-ylmethyl)indole-3-carbonyl]isonipecotic acid Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CN(C3=C2C=CC(=C3)Br)CC4=NCCN4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CN(C3=C2C=CC(=C3)Br)CC4=NCCN4

InChI

InChI=1S/C19H21BrN4O3/c20-13-1-2-14-15(18(25)23-7-3-12(4-8-23)19(26)27)10-24(16(14)9-13)11-17-21-5-6-22-17/h1-2,9-10,12H,3-8,11H2,(H,21,22)(H,26,27)